3-[chloro-(2-methoxyphenyl)methyl]-1,2,4,5-tetramethylbenzene

C18H21ClO — CID 63433738

IUPAC3-[chloro-(2-methoxyphenyl)methyl]-1,2,4,5-tetramethylbenzene
SMILESCOc1ccccc1C(Cl)c1c(C)c(C)cc(C)c1C
InChIInChI=1S/C18H21ClO/c1-11-10-12(2)14(4)17(13(11)3)18(19)15-8-6-7-9-16(15)20-5/h6-10,18H,1-5H3
InChIKeyZTRUKCPAIVQOCI-UHFFFAOYSA-N
MW288.82 g/mol
LogP5.26
Rot. Bonds3

About 3-[chloro-(2-methoxyphenyl)methyl]-1,2,4,5-tetramethylbenzene

3-[chloro-(2-methoxyphenyl)methyl]-1,2,4,5-tetramethylbenzene (PubChem CID 63433738) has the molecular formula C18H21ClO and a molecular weight of 288.82 g/mol. Its IUPAC name is 3-[chloro-(2-methoxyphenyl)methyl]-1,2,4,5-tetramethylbenzene.

Molecular Properties

Compound Name3-[chloro-(2-methoxyphenyl)methyl]-1,2,4,5-tetramethylbenzene
PubChem CID63433738
Molecular FormulaC18H21ClO
Molecular Weight288.82 g/mol
Exact Mass288.13
IUPAC Name3-[chloro-(2-methoxyphenyl)methyl]-1,2,4,5-tetramethylbenzene
SMILESCOc1ccccc1C(Cl)c1c(C)c(C)cc(C)c1C
InChIInChI=1S/C18H21ClO/c1-11-10-12(2)14(4)17(13(11)3)18(19)15-8-6-7-9-16(15)20-5/h6-10,18H,1-5H3
InChIKeyZTRUKCPAIVQOCI-UHFFFAOYSA-N
XLogP5.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.82
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 3-[chloro-(2-methoxyphenyl)methyl]-1,2,4,5-tetramethylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[chloro-(2-methoxyphenyl)methyl]-1,4-dimethylbenzene
CID 55197746
3-[(2-bromo-3-methylphenyl)-chloromethyl]-1,2,4,5-tetramethylbenzene
CID 107983453
1-bromo-2-[chloro-(2-methoxyphenyl)methyl]-4,5-dimethoxybenzene
CID 61084783
1-[chloro-(2,6-dimethoxyphenyl)methyl]-4-methoxy-2-methylbenzene
CID 61084322
1-bromo-5-[(2-bromophenyl)-chloromethyl]-4-methoxy-2-methylbenzene
CID 65432019
1-bromo-4-[chloro-(2-methoxyphenyl)methyl]benzene
CID 63428712
2-[chloro-(2,6-dimethoxyphenyl)methyl]-4-fluoro-1-methoxybenzene
CID 61085421
(2-methoxy-5-methylphenyl)-(2,3,5,6-tetramethylphenyl)methanol
CID 62503375
1-[chloro-(2,3-dimethylphenyl)methyl]-4,5-dimethoxy-2-methylbenzene
CID 63435134
4-[chloro-(2-methylphenyl)methyl]-1-methoxy-2-methylbenzene
CID 63434748
1-(3-chlorobutan-2-yl)-2-methoxybenzene
CID 66470656
3-[chloro-(2,6-dimethoxyphenyl)methyl]-2,5-dimethylthiophene
CID 61084593

Frequently Asked Questions

What is the IUPAC name of 3-[chloro-(2-methoxyphenyl)methyl]-1,2,4,5-tetramethylbenzene?
The IUPAC name of 3-[chloro-(2-methoxyphenyl)methyl]-1,2,4,5-tetramethylbenzene (CID 63433738) is 3-[chloro-(2-methoxyphenyl)methyl]-1,2,4,5-tetramethylbenzene.
What is the SMILES notation for 3-[chloro-(2-methoxyphenyl)methyl]-1,2,4,5-tetramethylbenzene?
The canonical SMILES for 3-[chloro-(2-methoxyphenyl)methyl]-1,2,4,5-tetramethylbenzene is COc1ccccc1C(Cl)c1c(C)c(C)cc(C)c1C.
What is the InChIKey of 3-[chloro-(2-methoxyphenyl)methyl]-1,2,4,5-tetramethylbenzene?
The InChIKey is ZTRUKCPAIVQOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClO/c1-11-10-12(2)14(4)17(13(11)3)18(19)15-8-6-7-9-16(15)20-5/h6-10,18H,1-5H3.
What are the key properties of 3-[chloro-(2-methoxyphenyl)methyl]-1,2,4,5-tetramethylbenzene?
3-[chloro-(2-methoxyphenyl)methyl]-1,2,4,5-tetramethylbenzene has a molecular weight of 288.82 g/mol, XLogP of 5.26, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[chloro-(2-methoxyphenyl)methyl]-1,2,4,5-tetramethylbenzene is sourced from PubChem (CID 63433738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).